3-[4-(1-azabicyclo[3.2.1]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide

Systemtic Name: 3-[4-(1-azabicyclo[3.2.1]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide Openeye Name: 3-[4-(1-azabicyclo[3.2.1]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide CAS Name: 3-[[4-[(1-azabicyclo[3.2.1]octan-3-ylamino)-oxomethyl]phenyl]thio]benzamide IUPAC Name: 3-[4-(1-azabicyclo[3.2.1]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide Traditional Name: 3-[[4-(1-azabicyclo[3.2.1]octan-3-ylcarbamoyl)phenyl]thio]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CC1CC(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C1CN2CC1CC(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C21H23N3O2S/c22-20(25)16-2-1-3-19(11-16)27-18-6-4-15(5-7-18)21(26)23-17-10-14-8-9-24(12-14)13-17/h1-7,11,14,17H,8-10,12-13H2,(H2,22,25)(H,23,26)